| SpectraBase Compound ID | Dmp92E2uV34 |
|---|---|
| InChI | InChI=1S/C9H18O/c1-6-8(10)7(2)9(3,4)5/h7H,6H2,1-5H3 |
| InChIKey | NIZGHKWTGTZAQQ-UHFFFAOYSA-N |
| Mol Weight | 142.24 g/mol |
| Molecular Formula | C9H18O |
| Exact Mass | 142.135765 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | DvCwkM2chia |
|---|---|
| Name | 4,5,5-Trimethyl-3-hexanone |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 142.135765199 u |
| Formula | C9H18O |
| InChI | InChI=1S/C9H18O/c1-6-8(10)7(2)9(3,4)5/h7H,6H2,1-5H3 |
| InChIKey | NIZGHKWTGTZAQQ-UHFFFAOYSA-N |
| Molecular Weight | 142.242 g/mol |
| SMILES | CCC(C(C)C(C)(C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.985807 |